6-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide

C19H19ClN2O4 — CID 26834146

IUPAC6-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide
SMILESCc1cc2oc(C(=O)NC[C@@H](c3ccco3)N(C)C)cc(=O)c2cc1Cl
InChIInChI=1S/C19H19ClN2O4/c1-11-7-17-12(8-13(11)20)15(23)9-18(26-17)19(24)21-10-14(22(2)3)16-5-4-6-25-16/h4-9,14H,10H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyJFGSYLZIOILRSW-AWEZNQCLSA-N
MW374.82 g/mol
LogP3.38
Rot. Bonds5

About 6-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide

6-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide (PubChem CID 26834146) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 6-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide
PubChem CID26834146
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name6-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide
SMILESCc1cc2oc(C(=O)NC[C@@H](c3ccco3)N(C)C)cc(=O)c2cc1Cl
InChIInChI=1S/C19H19ClN2O4/c1-11-7-17-12(8-13(11)20)15(23)9-18(26-17)19(24)21-10-14(22(2)3)16-5-4-6-25-16/h4-9,14H,10H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyJFGSYLZIOILRSW-AWEZNQCLSA-N
XLogP3.38
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxochromene-2-carboxamide
CID 26834060
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 35575343
N-benzyl-6-chloro-7-methyl-4-oxochromene-2-carboxamide
CID 35141061
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 43843785
7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8011985
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51251068
6-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride
CID 146052662
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 94108532
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992
6-chloro-7-methyl-4-oxo-N-[(2R)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide
CID 35578846
6-chloro-7-methyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide
CID 35578842
6-chloro-7-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide
CID 155942915

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of 6-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide (CID 26834146) is 6-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide is Cc1cc2oc(C(=O)NC[C@@H](c3ccco3)N(C)C)cc(=O)c2cc1Cl.
What is the InChIKey of 6-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide?
The InChIKey is JFGSYLZIOILRSW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-11-7-17-12(8-13(11)20)15(23)9-18(26-17)19(24)21-10-14(22(2)3)16-5-4-6-25-16/h4-9,14H,10H2,1-3H3,(H,21,24)/t14-/m0/s1.
What are the key properties of 6-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide?
6-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide has a molecular weight of 374.82 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 26834146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).